ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006739
RECORD_TITLE: N-(2,2,4,4-TETRADEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-(2,2,4,4-TETRADEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₂
CH$EXACT_MASS: 245.14158
CH$SMILES: O=C(C2)N(CCC2)C(=O)C([2H])([2H])CC([2H])([2H])c(c1)cccc1
CH$IUPAC: InChI=1S/C15H19NO2/c17-14-10-4-5-12-16(14)15(18)11-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2/i9D2,11D2
CH$LINK: INCHIKEY VWMYFCUYOIXABI-ZXVMGSATSA-N

AC$INSTRUMENT: HITACHI RMU-6G
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f6x-3900000000-6ac8f2a3f2340ce4bf6f
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  42 2 20
  43 3 30
  44 5 50
  45 0.35 4
  46 2 20
  47 3.5 35
  55 7 70
  56 0.1 1
  57 4 40
  58 2 20
  60 7 70
  70 0.05 1
  71 4.5 45
  72 3.5 35
  75 2 20
  82 0.03 0
  83 2 20
  84 2.5 25
  85 2 20
  86 0.02 0
  88 3 30
  91 3 30
  92 8 80
  93 0.22 2
  94 4.5 45
  98 7 70
  99 17 170
  100 0.52 5
  101 42 420
  102 35 350
  103 4 40
  104 0.25 3
  105 17 170
  106 4 40
  107 3 30
  112 0.04 0
  113 2 20
  114 7 70
  115 12 120
  116 0.86 9
  117 7 70
  120 2.5 25
  121 2.5 25
  133 0.03 0
  141 2.5 25
  142 6 60
  143 16 160
  144 99.99 999
  145 8 80
  151 5 50
  155 1.5 15
  156 0.08 1
  179 1.5 15
  249 6 60
  250 2 20
  251 3 30
//